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2009 | 116 | 5 | 924-926
Article title

DFT+U Calculations of Transition Metal Doped AlN

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Abstracts
EN
The electronic structure of transition metal (TM = V, Cr, Mn, Fe) doped aluminium nitride was presented. The calculations were made within the DFT and DFT+U approach and the supercell approximation. The effective interaction parameter Hubbard U for mentioned compounds was determined within linear response approach in contrast to the other type of calculations which treated this factor as an adjustable parameter.
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Contributors
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 1760-179 Poznań, Poland
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 1760-179 Poznań, Poland
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv116n551kz
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